# generated using pymatgen
data_Fe4CoH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35182549
_cell_length_b   9.70742599
_cell_length_c   13.61667805
_cell_angle_alpha   103.64397766
_cell_angle_beta   89.99999377
_cell_angle_gamma   90.00014276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4CoH32C12(NO2)6
_chemical_formula_sum   'Fe8 Co2 H64 C24 N12 O24'
_cell_volume   1201.26745403
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.08689741  0.84767092  0.73080364  1
  Fe  Fe1  1  0.58696643  0.65237666  0.76921051  1
  Fe  Fe2  1  0.91302110  0.15240953  0.26920369  1
  Fe  Fe3  1  0.41307716  0.34764685  0.23081089  1
  Fe  Fe4  1  0.93103730  0.53455806  0.73148464  1
  Fe  Fe5  1  0.43104358  0.96543672  0.76850762  1
  Fe  Fe6  1  0.06897442  0.46545332  0.26852093  1
  Fe  Fe7  1  0.56895769  0.03455995  0.23147851  1
  Co  Co8  1  -0.00090993  1.00118112  0.99972556  1
  Co  Co9  1  0.50045415  0.50058645  0.49986344  1
  H  H10  1  0.18984689  0.19585800  0.08740809  1
  H  H11  1  0.68978648  0.30416019  0.41260054  1
  H  H12  1  0.81023489  0.80419278  0.91260212  1
  H  H13  1  0.31015589  0.69584343  0.58741562  1
  H  H14  1  0.27412779  0.09512932  0.98720863  1
  H  H15  1  0.77415923  0.40475973  0.51277480  1
  H  H16  1  0.72582534  0.90473459  0.01277212  1
  H  H17  1  0.22584275  0.59517096  0.48722367  1
  H  H18  1  0.53216659  0.46356891  0.87454110  1
  H  H19  1  0.03214197  0.03642775  0.62542227  1
  H  H20  1  0.46788236  0.53642595  0.12541765  1
  H  H21  1  0.96784351  0.96359186  0.37454171  1
  H  H22  1  0.51888710  0.22243458  0.89723348  1
  H  H23  1  0.01883944  0.27754879  0.60277026  1
  H  H24  1  0.48117017  0.77754415  0.10277200  1
  H  H25  1  0.98112743  0.72245102  0.39723214  1
  H  H26  1  0.75707108  0.02842557  0.85711986  1
  H  H27  1  0.25707189  0.47147144  0.64279320  1
  H  H28  1  0.24293740  0.97143322  0.14275676  1
  H  H29  1  0.74292284  0.52848664  0.35716513  1
  H  H30  1  0.90082940  0.09771856  0.80008635  1
  H  H31  1  0.40076686  0.40225051  0.69994076  1
  H  H32  1  0.09925766  0.90224615  0.19994521  1
  H  H33  1  0.59918427  0.59775592  0.30008950  1
  H  H34  1  0.20526565  0.32733754  0.96667953  1
  H  H35  1  0.70519788  0.17275006  0.53331000  1
  H  H36  1  0.79481496  0.67279295  0.03330193  1
  H  H37  1  0.29475483  0.82729187  0.46668477  1
  H  H38  1  0.17115045  0.17467542  0.87039525  1
  H  H39  1  0.67105764  0.32533386  0.62960708  1
  H  H40  1  0.82898620  0.82534684  0.12960515  1
  H  H41  1  0.32891107  0.67466595  0.37039544  1
  H  H42  1  0.57783846  0.39301588  0.07043999  1
  H  H43  1  0.07776652  0.10698900  0.42957523  1
  H  H44  1  0.42225867  0.60697347  0.92958739  1
  H  H45  1  0.92218477  0.89301884  0.57041805  1
  H  H46  1  0.73409679  0.43922968  -0.00017478  1
  H  H47  1  0.23398988  0.06069427  0.50017177  1
  H  H48  1  0.26603648  0.56067108  1.00017139  1
  H  H49  1  0.76593435  0.93926206  0.49981806  1
  H  H50  1  0.80708154  0.27948123  0.10653887  1
  H  H51  1  0.30704992  0.22048407  0.39349458  1
  H  H52  1  0.19297873  0.72045613  0.89349618  1
  H  H53  1  0.69293827  0.77950240  0.60652892  1
  H  H54  1  0.69978808  0.14069516  0.03716950  1
  H  H55  1  0.19989542  0.35932664  0.46290418  1
  H  H56  1  0.30008181  0.85932474  0.96292346  1
  H  H57  1  0.80017321  0.64069624  0.53714200  1
  H  H58  1  0.77819827  0.32117199  0.80949376  1
  H  H59  1  0.27811475  0.17881267  0.69052573  1
  H  H60  1  0.22189791  0.67880511  0.19052536  1
  H  H61  1  0.72183471  0.82119078  0.30947749  1
  H  H62  1  0.66368830  0.17828668  0.75523947  1
  H  H63  1  0.16358402  0.32168943  0.74478614  1
  H  H64  1  0.33643482  0.82167917  0.24479374  1
  H  H65  1  0.83634717  0.67829623  0.25523264  1
  H  H66  1  0.98903785  0.42578182  0.09777971  1
  H  H67  1  0.48906797  0.07419177  0.40221865  1
  H  H68  1  0.01092197  0.57417967  0.90222811  1
  H  H69  1  0.51098251  0.92572806  0.59774170  1
  H  H70  1  0.97156246  0.37007182  0.92159010  1
  H  H71  1  0.47178577  0.12972664  0.57845662  1
  H  H72  1  0.02813355  0.62968733  0.07847468  1
  H  H73  1  0.52830915  0.87014120  0.42156250  1
  C  C74  1  0.81533062  0.12580721  0.85586480  1
  C  C75  1  0.31528308  0.37407375  0.64413455  1
  C  C76  1  0.18472626  0.87403303  0.14412276  1
  C  C77  1  0.68468379  0.62587261  0.35587156  1
  C  C78  1  0.13993936  0.23025487  0.94787385  1
  C  C79  1  0.63981034  0.26978900  0.55212967  1
  C  C80  1  0.86022842  0.76981942  0.05212193  1
  C  C81  1  0.36010049  0.73022441  0.44788018  1
  C  C82  1  0.67115320  0.34326154  0.99870368  1
  C  C83  1  0.17103627  0.15666241  0.50130165  1
  C  C84  1  0.32900248  0.65663485  0.00130619  1
  C  C85  1  0.82888405  0.84329812  0.49869676  1
  C  C86  1  0.76221537  0.23425212  0.03192288  1
  C  C87  1  0.26217482  0.26566765  0.46813345  1
  C  C88  1  0.23783546  0.76563987  0.96815022  1
  C  C89  1  0.73780437  0.73429421  0.53190604  1
  C  C90  1  0.71587813  0.23305439  0.82560734  1
  C  C91  1  0.21577683  0.26693053  0.67443029  1
  C  C92  1  0.28424486  0.76692576  0.17443836  1
  C  C93  1  0.78415899  0.73307441  0.32559263  1
  C  C94  1  0.99025331  0.27674113  0.95470120  1
  C  C95  1  0.49019588  0.22310567  0.54533184  1
  C  C96  1  0.00983022  0.72305636  0.04533115  1
  C  C97  1  0.50974319  0.77681280  0.45470966  1
  N  N98  1  0.87959700  0.18181360  0.95810592  1
  N  N99  1  0.37931600  0.31755267  0.54204450  1
  N  N100  1  0.12075531  0.81737116  0.04207248  1
  N  N101  1  0.62050465  0.68207015  0.45806431  1
  N  N102  1  0.17564773  0.13590591  0.01410759  1
  N  N103  1  0.67561232  0.36416332  0.48588945  1
  N  N104  1  0.82440267  0.86421592  0.98588581  1
  N  N105  1  0.32434453  0.63587000  0.51412193  1
  N  N106  1  0.60831408  0.29279171  0.90159190  1
  N  N107  1  0.10822624  0.20715835  0.59841841  1
  N  N108  1  0.39179695  0.70714101  0.09842449  1
  N  N109  1  0.89171974  0.79282537  0.40158575  1
  O  O110  1  0.03419943  0.93849905  0.86926928  1
  O  O111  1  0.53460856  0.56199500  0.63055469  1
  O  O112  1  0.96525870  0.06215039  0.13046722  1
  O  O113  1  0.46566512  0.43831776  0.36931851  1
  O  O114  1  -0.01445611  0.95083074  0.63966324  1
  O  O115  1  0.48555546  0.54914758  0.86030132  1
  O  O116  1  1.01444682  0.04917521  0.36029621  1
  O  O117  1  0.51447683  0.45084511  0.13969876  1
  O  O118  1  0.88879408  0.38470778  0.63177270  1
  O  O119  1  0.38880190  0.11527581  0.86822302  1
  O  O120  1  0.11120701  0.61529227  0.36823432  1
  O  O121  1  0.61120519  0.88471006  0.13176916  1
  O  O122  1  0.05141149  0.65770418  0.68475297  1
  O  O123  1  0.55140800  0.84231088  0.81527421  1
  O  O124  1  0.94858819  0.34232709  0.31528448  1
  O  O125  1  0.44858658  0.15769713  0.18473160  1
  O  O126  1  0.27783452  0.85836070  0.70182000  1
  O  O127  1  0.77788170  0.64164526  0.79823637  1
  O  O128  1  0.72211582  0.14164503  0.29823792  1
  O  O129  1  0.22215844  0.35838151  0.20179465  1
  O  O130  1  0.02379811  0.48840891  0.84810668  1
  O  O131  1  0.52386110  1.01148120  0.65186969  1
  O  O132  1  0.97614915  0.51154688  0.15189431  1
  O  O133  1  0.47617994  -0.01157789  0.34810023  1
